Chemical Properties of Methyl formate (CAS 107-31-3)

InChI

InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3

InChI Key

TZIHFWKZFHZASV-UHFFFAOYSA-N

Formula

C2H4O2

SMILES

COC=O

Molecular Weight¹

60.05

CAS

107-31-3

Other Names

• Formiate de methyle
• Formic acid, methyl ester
• HCOOCH3
• METHYL ESTER FORMIC ACID
• METHYL METHANOATE
• Methanoic acid methyl ester
• Methyl ester of formic acid
• Methylester kyseliny mravenci
• Methylformiaat
• Methylformiat
• Mravencan methylnaty
• UN 1243
• methanoic acid, methyl ester

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2570		KDB
PAff	782.50	kJ/mol	NIST
Tig	729.26	K	KDB
BasG	751.50	kJ/mol	NIST
ΔcH°liquid	-972.61 ± 0.59	kJ/mol	NIST
μ	1.80	debye	KDB
η	0.0003000	Pa×s	Densiti...
LFL	5.00	% in Air	KDB
UFL	22.70	% in Air	KDB
Tflash,oc	240.93	K	KDB
ΔfG°	-297.40	kJ/mol	KDB
ΔfH°gas	[-362.00; -336.90]	kJ/mol
ΔfH°gas	-350.00	kJ/mol	KDB
ΔfH°gas	-336.90	kJ/mol	NIST
ΔfH°gas	-349.00	kJ/mol	NIST
ΔfH°gas	-362.00	kJ/mol	NIST
ΔfH°gas	-355.50	kJ/mol	NIST
ΔfH°liquid	[-391.00; -365.90]	kJ/mol
ΔfH°liquid	-365.90	kJ/mol	NIST
ΔfH°liquid	-378.00	kJ/mol	NIST
ΔfH°liquid	-391.00	kJ/mol	NIST
ΔfH°liquid	-386.10	kJ/mol	NIST
ΔfusH°	4.41	kJ/mol	Joback Calculated Property
ΔvapH°	29.18	kJ/mol	Joback Calculated Property
IE	[10.30; 11.00]	eV
IE	10.84	eV	NIST
IE	10.84	eV	NIST
IE	10.70	eV	NIST
IE	10.99	eV	NIST
IE	10.85 ± 0.05	eV	NIST
IE	10.85	eV	NIST
IE	10.81 ± 0.01	eV	NIST
IE	11.00	eV	NIST
IE	10.85	eV	NIST
IE	Outlier 10.30	eV	NIST
log10WS	[0.58; 0.58]
log10WS	0.58		Aq. Sol...
log10WS	0.58		Estimat...
logPoct/wat	-0.211		Crippen Calculated Property
McVol	46.480	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	2		KDB
NFPA Safety	1		KDB
Pc	[5998.00; 6247.00]	kPa
Pc	5998.00	kPa	KDB
Pc	6004.00 ± 60.79	kPa	NIST
Pc	6007.50 ± 40.00	kPa	NIST
Pc	6247.00 ± 202.65	kPa	NIST
ρc	[349.38; 349.38]	kg/m3
ρc	349.38 ± 4.80	kg/m3	NIST
ρc	349.38 ± 4.20	kg/m3	NIST
Inp	[362.00; 407.00]
Inp	376.00		NIST
Inp	377.00		NIST
Inp	369.00		NIST
Inp	369.00		NIST
Inp	373.00		NIST
Inp	370.00		NIST
Inp	386.00		NIST
Inp	373.00		NIST
Inp	380.00		NIST
Inp	362.00		NIST
Inp	370.00		NIST
Inp	386.00		NIST
Inp	401.10		NIST
Inp	386.00		NIST
Inp	386.00		NIST
Inp	407.00		NIST
Inp	407.00		NIST
Inp	401.10		NIST
I	[757.00; 779.00]
I	779.00		NIST
I	757.00		NIST
I	779.00		NIST
I	761.00		NIST
I	779.00		NIST
Tboil	[304.70; 304.89]	K
Tboil	304.80	K	KDB
Tboil	304.70	K	Solutio...
Tboil	304.79	K	Isobari...
Tboil	304.70	K	Isobari...
Tboil	304.89	K	Isobari...
Tc	[485.20; 523.70]	K
Tc	487.20	K	KDB
Tc	487.20	K	NIST
Tc	487.20 ± 1.00	K	NIST
Tc	487.20 ± 1.00	K	NIST
Tc	Outlier 523.70 ± 20.00	K	NIST
Tc	485.20 ± 2.00	K	NIST
Tfus	[173.20; 174.00]	K
Tfus	174.00	K	KDB
Tfus	173.40	K	Aq. Sol...
Tfus	173.20 ± 2.00	K	NIST
Tfus	173.40 ± 0.30	K	NIST
Vc	0.172	m3/kmol	KDB
Zc	0.2546780		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[73.11; 92.17]	J/mol×K	[316.24; 489.79]
Cp,gas	73.11	J/mol×K	316.24	Joback Calculated Property
Cp,gas	76.36	J/mol×K	345.17	Joback Calculated Property
Cp,gas	79.59	J/mol×K	374.09	Joback Calculated Property
Cp,gas	82.80	J/mol×K	403.02	Joback Calculated Property
Cp,gas	85.96	J/mol×K	431.94	Joback Calculated Property
Cp,gas	89.09	J/mol×K	460.87	Joback Calculated Property
Cp,gas	92.17	J/mol×K	489.79	Joback Calculated Property
Cp,liquid	[95.50; 130.00]	J/mol×K	[288.00; 298.75]
Cp,liquid	121.30	J/mol×K	288.00	NIST
Cp,liquid	95.50	J/mol×K	297.00	NIST
Cp,liquid	130.00	J/mol×K	298.00	NIST
Cp,liquid	119.70	J/mol×K	298.15	NIST
Cp,liquid	120.57	J/mol×K	298.75	NIST
η	[0.0002358; 0.0018060]	Pa×s	[176.53; 316.24]
η	0.0018060	Pa×s	176.53	Joback Calculated Property
η	0.0010556	Pa×s	199.81	Joback Calculated Property
η	0.0006902	Pa×s	223.10	Joback Calculated Property
η	0.0004890	Pa×s	246.38	Joback Calculated Property
η	0.0003677	Pa×s	269.67	Joback Calculated Property
η	0.0002893	Pa×s	292.95	Joback Calculated Property
η	0.0002358	Pa×s	316.24	Joback Calculated Property
ΔvapH	[27.40; 30.10]	kJ/mol	[283.00; 374.00]
ΔvapH	30.10	kJ/mol	283.00	NIST
ΔvapH	29.60	kJ/mol	292.00	NIST
ΔvapH	28.70 ± 0.10	kJ/mol	293.00	NIST
ΔvapH	27.92	kJ/mol	304.70	NIST
ΔvapH	27.90 ± 0.10	kJ/mol	305.00	NIST
ΔvapH	28.20	kJ/mol	305.10	KDB
ΔvapH	27.40 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	28.40	kJ/mol	374.00	NIST
Pvap	[101.32; 114.88]	kPa	[304.70; 308.15]
Pvap	101.32	kPa	304.70	Isobari...
Pvap	114.88	kPa	308.15	Total V...
n0	[1.33930; 1.34359]		[293.10; 303.15]
n0	1.34359		293.10	Vapor-L...
n0	1.34150		298.15	Thermod...
n0	1.34110		298.15	Mixing ...
n0	1.34020		299.15	Excess ...
n0	1.33930		303.15	Excess ...
ρl	[960.85; 980.82]	kg/m3	[288.15; 298.15]
ρl	980.82	kg/m3	288.15	Isobari...
ρl	977.21	kg/m3	291.15	Experim...
ρl	974.00	kg/m3	293.00	KDB
ρl	966.54	kg/m3	298.15	Experim...
ρl	960.85	kg/m3	298.15	Densiti...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4511.72]	kPa	[224.24; 487.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42260e+01
Coefficient B			-2.62106e+03
Coefficient C			-3.61910e+01
Temperature range, min.			224.24
Temperature range, max.			487.20
Pvap	1.33	kPa	224.24	Calculated Property
Pvap	8.69	kPa	253.46	Calculated Property
Pvap	36.31	kPa	282.68	Calculated Property
Pvap	112.07	kPa	311.89	Calculated Property
Pvap	278.69	kPa	341.11	Calculated Property
Pvap	590.95	kPa	370.33	Calculated Property
Pvap	1110.43	kPa	399.55	Calculated Property
Pvap	1899.55	kPa	428.76	Calculated Property
Pvap	3016.54	kPa	457.98	Calculated Property
Pvap	4511.72	kPa	487.20	Calculated Property
Pvap	[7.18e-03; 5921.32]	kPa	[174.15; 487.20]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.57116e+01
Coefficient B			-5.45175e+03
Coefficient C			-7.66441e+00
Coefficient D			6.72918e-06
Temperature range, min.			174.15
Temperature range, max.			487.20
Pvap	7.18e-03	kPa	174.15	Calculated Property
Pvap	0.36	kPa	208.93	Calculated Property
Pvap	5.04	kPa	243.72	Calculated Property
Pvap	33.51	kPa	278.50	Calculated Property
Pvap	137.25	kPa	313.28	Calculated Property
Pvap	406.95	kPa	348.07	Calculated Property
Pvap	965.64	kPa	382.85	Calculated Property
Pvap	1957.94	kPa	417.63	Calculated Property
Pvap	3546.70	kPa	452.42	Calculated Property
Pvap	5921.32	kPa	487.20	Calculated Property

Similar Compounds

Find more compounds similar to Methyl formate.

Mixtures

• Methyl formate + Pentane
• Methyl formate + Methylal
• Carbonic acid, dimethyl ester + Methyl formate
• Methyl formate + Heptane
• Methyl formate + Octane
• Methyl formate + Nonane
• Ethane, 1,2-dibromo- + Methyl formate
• Propane, 1,3-dibromo- + Methyl formate
• Methyl formate + Butane, 1,4-dibromo-
• Pentane, 1,5-dibromo- + Methyl formate
• Hexane, 1,6-dibromo- + Methyl formate
• Methyl formate + Methyl valerate
• Methyl formate + Methyl Alcohol
• Methyl formate + Methyl valerate + Methyl Alcohol
• Methyl formate + Water
• Methyl formate + Ethanol, 2-ethoxy-
• 2-Propanol, 2-methyl- + Methyl formate
• n-Hexane + Methyl formate
• Methyl formate + Dimethyl ether
• Methyl formate + o-Xylene

Find more mixtures with Methyl formate.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Excess properties and isobaric vapor liquid equilibria for four binary systems of alkyl (methyl to butyl) methanoates with decane
• Experimentation and thermodynamic representations of binaries containing compounds of low boiling points: Pentane and alkylmethanoates
• Isobaric vapor-liquid equilibria for binary mixtures from methyl methanoate, dimethoxymethane and dimethyl carbonate at 101.33 kPa
• Solutions of alkyl methanoates and alkanes: Simultaneous modeling of phase equilibria and mixing properties. Estimation of behavior by UNIFAC with recalculation of parameters
• Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
• Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) V. Hex and Vex for 25 binary mixtures {xCu-1H2u-1CO2CH3 + (1-x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 5, a = 1 and v = x = 2 to 6
• Mixing thermodynamic properties of ester-containing solutions: A study on the ternary (methyl alkanoate (pentanoate and methanoate) + methanol) and the corresponding binaries. New contributions to the (ester + ester) interactions
• Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
• Excess molar enthalpies of methylformate + (1-propanol, 2-propanol, 1-butanol, 2-butanol and 1-pentanol) at T = 298.15 K, p = (5.0, 10.0)MPa, and methylformate + 1-propanol at T = 333.15 K, p = 10.0MPa
• Solubility of Carbon Monoxide and Hydrogen in Methanol and Methyl Formate: 298-373 K and 0.3-3.3 MPa
• Total Vapor Pressure Measurements for 2-Ethoxyethanol with Methyl Acetate, Ethyl Acetate, Propyl Acetate, and Ethyl Propionate at 313.15 K and for 2-Ethoxyethanol with Methyl Formate at 308.15 K
• Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane
• Measurement of Activity Coefficients of Solutes at Infinite Dilution in (Dimethyl Sulfoxide + Acetamide, or Formamide, or Urea) Using Gas Liquid Chromatography at the Temperature 298.15 K
• Excess Properties and Isobaric Vapor-Liquid Equilibria for Binary Mixtures of Methyl Esters + tert-Butanol
• Measurement of Activity Coefficients at Infinite Dilution of Benzene, Toluene, Ethanol, Esters, Ketones, and Ethers at Various Temperatures in Water Using the Dilutor Technique
• Isobaric Vapor-Liquid Equilibrium Data and Excess Properties of Binary Systems Comprised of Alkyl Methanoates + Hexane
• Vapor-Liquid Equilibrium for Methoxymethane + Methyl Formate, Methoxymethane + Hexane, and Methyl Formate + Methanol
• Isobaric Vapor-Liquid Equilibium for the Binary Systems of Methyl Formate with o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene at 101.33 kPa
• Experiments and Correlations of the Vapor Liquid Equilibria for Carbon Monoxide + Propionic Acid and Carbon Monoxide + Methyl Formate Systems
• Solubilities of Betulin in Fourteen Organic Solvents at Different Temperatures
• Excess Volumes of Binary Solutions of Methyl Formate, Ethyl Formate, Propyl Formate, and Benzyl Acetate with Bromo-, Chloro-, and Nitrobenzenes at (303.15, 308.15, and 313.15) K
• Densities and Viscosities of 1-Butyl-3-methylimidazolium Tetrafluoroborate + Molecular Solvent Binary Mixtures
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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